Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "429be2a21811717390ca8a40a40dd58b",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 137.96,
"b": 137.96,
"c": 127.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.530,1.700],
"number_observations": 889509,
"number_observations_unique": 67513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.175
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 67880,
"number_observations_unique": 4953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.792
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.705
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 66015,
"number_observations_unique": 4833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.659
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 63322,
"number_observations_unique": 4669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 6.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.562
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 60993,
"number_observations_unique": 4562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 7.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.370
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 57449,
"number_observations_unique": 4411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 10.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.024
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 52073,
"number_observations_unique": 4281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 12.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.164
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 53697,
"number_observations_unique": 4117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 15.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.043
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 51273,
"number_observations_unique": 3984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 18.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.870
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 48813,
"number_observations_unique": 3832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 21.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.738
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 50662,
"number_observations_unique": 3630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 24.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.956
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 48685,
"number_observations_unique": 3516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 27.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.847
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 45056,
"number_observations_unique": 3295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 30.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.674
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 41691,
"number_observations_unique": 3119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 33.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.367
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 37727,
"number_observations_unique": 2884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 36.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.081
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 33567,
"number_observations_unique": 2684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 40.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.506
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 28789,
"number_observations_unique": 2453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 47.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.736
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 27218,
"number_observations_unique": 2162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 53.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.589
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 24692,
"number_observations_unique": 1860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 56.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.275
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 19850,
"number_observations_unique": 1461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 54.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.587
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [19.530,7.600],
"number_observations": 10057,
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 59.410
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 12.462
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}